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Graph Neural Nets (GNNs) have received increasing attentions, partially due to their superior performance in many node and graph classification tasks. However, there is a lack of understanding on what they are learning and how sophisticated…

Machine Learning · Computer Science 2020-06-11 Ting Chen , Song Bian , Yizhou Sun

The generalization ability of Convolutional neural networks (CNNs) for biometrics drops greatly due to the adverse effects of various occlusions. To this end, we propose a novel unified framework integrated the merits of both CNNs and…

Computer Vision and Pattern Recognition · Computer Science 2020-09-15 Min Ren , Yunlong Wang , Zhenan Sun , Tieniu Tan

While deep neural networks (DNN) have become an effective computational tool, the prediction results are often criticized by the lack of interpretability, which is essential in many real-world applications such as health informatics.…

Computer Vision and Pattern Recognition · Computer Science 2018-05-29 Mengnan Du , Ninghao Liu , Qingquan Song , Xia Hu

We investigate deep morphological neural networks (DMNNs). We demonstrate that despite their inherent non-linearity, "linear" activations are essential for DMNNs. To preserve their inherent sparsity, we propose architectures that constraint…

Machine Learning · Computer Science 2025-12-24 Konstantinos Fotopoulos , Petros Maragos

Recent advancements in graph representation learning have led to the emergence of condensed encodings that capture the main properties of a graph. However, even though these abstract representations are powerful for downstream tasks, they…

Machine Learning · Computer Science 2020-02-21 Cristian Bodnar , Cătălina Cangea , Pietro Liò

Deep Neural Networks have shown tremendous success in the area of object recognition, image classification and natural language processing. However, designing optimal Neural Network architectures that can learn and output arbitrary graphs…

Machine Learning · Computer Science 2019-07-02 Mital Kinderkhedia

Graph neural networks (GNNs) are effective machine learning models for many graph-related applications. Despite their empirical success, many research efforts focus on the theoretical limitations of GNNs, i.e., the GNNs expressive power.…

Machine Learning · Computer Science 2025-01-13 Bingxu Zhang , Changjun Fan , Shixuan Liu , Kuihua Huang , Xiang Zhao , Jincai Huang , Zhong Liu

Molecular dynamics simulations can generate atomically detailed trajectories of complex systems, but analyzing these dynamics can be challenging when systems lack well-established quantitative descriptors (features). Graph neural networks…

Machine Learning · Computer Science 2025-12-09 Zihan Pengmei , Spencer C. Guo , Chatipat Lorpaiboon , Aaron R. Dinner

Graph neural networks (GNNs) have attracted much attention due to their ability to leverage the intrinsic geometries of the underlying data. Although many different types of GNN models have been developed, with many benchmarking procedures…

Recently, the deep learning community has given growing attention to neural architectures engineered to learn problems in relational domains. Convolutional Neural Networks employ parameter sharing over the image domain, tying the weights of…

Machine Learning · Computer Science 2019-02-26 Marcelo O. R. Prates , Pedro H. C. Avelar , Henrique Lemos , Marco Gori , Luis Lamb

Graph neural networks aim to learn representations for graph-structured data and show impressive performance, particularly in node classification. Recently, many methods have studied the representations of GNNs from the perspective of…

Machine Learning · Computer Science 2023-05-30 Jiaqi Sun , Lin Zhang , Guangyi Chen , Kun Zhang , Peng XU , Yujiu Yang

The use of distributions and high-level features from deep architecture has become commonplace in modern computer vision. Both of these methodologies have separately achieved a great deal of success in many computer vision tasks. However,…

Machine Learning · Statistics 2021-01-15 Junier B. Oliva , Danica J. Sutherland , Barnabás Póczos , Jeff Schneider

Network data can be conveniently modeled as a graph signal, where data values are assigned to the nodes of a graph describing the underlying network topology. Successful learning from network data requires methods that effectively exploit…

Signal Processing · Electrical Eng. & Systems 2020-10-22 Samuel Pfrommer , Fernando Gama , Alejandro Ribeiro

Graph Neural Networks (GNNs) have established themselves as the state-of-the-art models for many machine learning applications such as the analysis of social networks, protein interactions and molecules. Several among these datasets contain…

We study the phenomenon that some modules of deep neural networks (DNNs) are more critical than others. Meaning that rewinding their parameter values back to initialization, while keeping other modules fixed at the trained parameters,…

Machine Learning · Computer Science 2020-02-18 Niladri S. Chatterji , Behnam Neyshabur , Hanie Sedghi

Graphical models capture relations between entities in a wide range of applications including social networks, biology, and natural language processing, among others. Graph neural networks (GNN) are neural models that operate over graphs,…

Machine Learning · Computer Science 2024-02-08 Xu Zheng , Farhad Shirani , Tianchun Wang , Shouwei Gao , Wenqian Dong , Wei Cheng , Dongsheng Luo

In the context of classification problems, Deep Learning (DL) approaches represent state of art. Many DL approaches are based on variations of standard multi-layer feed-forward neural networks. These are also referred to as deep networks.…

Machine Learning · Computer Science 2023-11-21 Andrea Apicella , Francesco Isgrò , Roberto Prevete

Graph Neural Networks (GNNs) are widely adopted in advanced AI systems due to their capability of representation learning on graph data. Even though GNN explanation is crucial to increase user trust in the systems, it is challenging due to…

Machine Learning · Computer Science 2022-08-08 Tien-Cuong Bui , Wen-syan Li , Sang-Kyun Cha

Graph Neural Networks (GNNs) typically operate by message-passing, where the state of a node is updated based on the information received from its neighbours. Most message-passing models act as graph convolutions, where features are mixed…

Most real-world networks contain well-defined community structures where nodes are densely connected internally within communities. To learn from these networks, we develop MarkovGNN that captures the formation and evolution of communities…

Machine Learning · Computer Science 2022-05-02 Md. Khaledur Rahman , Abhigya Agrawal , Ariful Azad